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Crystal structure of NLRP3 in complex with inhibitor NP3-562

X-ray diffraction
2.8Å resolution
PDB entry 8ri2 coloured by chain, front view.
PDB entry 8ri2 coloured by chain, side view.
PDB entry 8ri2 coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: NACHT, LRR and PYD domains-containing protein 3
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Multimeric state: monomeric
Accessible surface area: 21021.13 Å2
Buried surface area: 1617.54 Å2
Dissociation area: 427.43 Å2
Dissociation energy (ΔGdiss): -3.31 kcal/mol
Dissociation entropy (TΔSdiss): 5.09 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-572508

Macromolecules

NACHT, LRR and PYD domains-containing protein 3
Chain: A
Length: 550 amino acids
Theoretical weight: 64.16 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q96P20 (Residues: 131-679; Coverage: 53%)
Gene names: C1orf7, CIAS1, NALP3, NLRP3, PYPAF1
Pfam:
NACHT, LRR and PYD domains-containing protein 3 in PDB entry 8ri2, assembly 1, front view.
NACHT, LRR and PYD domains-containing protein 3 in PDB entry 8ri2, assembly 1, side view.
NACHT, LRR and PYD domains-containing protein 3 in PDB entry 8ri2, assembly 1, top view.
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